3-(2,3-dimethylphenyl)-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-4-yl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2,3-dimethylphenyl)-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-4-yl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-3-(2,3-dimethylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,3-dimethylphenyl)-4-oxo-N-[1-(phenylmethyl)-4-piperidinyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-3-(2,3-dimethylphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5)NC2=S)C

InChI

InChI=1S/C29H30N4O2S/c1-19-7-6-10-26(20(19)2)33-28(35)24-12-11-22(17-25(24)31-29(33)36)27(34)30-23-13-15-32(16-14-23)18-21-8-4-3-5-9-21/h3-12,17,23H,13-16,18H2,1-2H3,(H,30,34)(H,31,36)